6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]

C27H18N2O+2 — CID 160614588

IUPAC6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]
SMILESC=C1Oc2ccccc2C2=C1c1cccc[n+]1C21c2ccccc2-c2cccc[n+]21
InChIInChI=1S/C27H18N2O/c1-18-25-23-14-7-9-17-29(23)27(26(25)20-11-3-5-15-24(20)30-18)21-12-4-2-10-19(21)22-13-6-8-16-28(22)27/h2-17H,1H2/q+2
InChIKeyMUGMBUJAWJZVNA-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.32
Rot. Bonds

About 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]

6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium] (PubChem CID 160614588) has the molecular formula C27H18N2O+2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium].

Molecular Properties

Compound Name6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]
PubChem CID160614588
Molecular FormulaC27H18N2O+2
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]
SMILESC=C1Oc2ccccc2C2=C1c1cccc[n+]1C21c2ccccc2-c2cccc[n+]21
InChIInChI=1S/C27H18N2O/c1-18-25-23-14-7-9-17-29(23)27(26(25)20-11-3-5-15-24(20)30-18)21-12-4-2-10-19(21)22-13-6-8-16-28(22)27/h2-17H,1H2/q+2
InChIKeyMUGMBUJAWJZVNA-UHFFFAOYSA-N
XLogP4.32
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium] with MolForge

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Related Compounds

N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine
CID 21042169
spiro[7,20-diazoniapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,6'-pyrido[2,1-a]isoindol-5-ium]
CID 142955188
2,4-diethyl-3-methyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(15),5,7,9,11,13-hexaene
CID 123294446
6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium
CID 123837266
spiro[3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),11,15,17,19,21,23-nonaene-14,6'-pyrido[2,1-a]isoindol-5-ium]
CID 158736506
CID 58793302
CID 58793302
20-propan-2-ylspiro[12,15-dioxa-23-azoniaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),19,21,26-dodecaene-24,6'-pyrido[2,1-a]isoindol-5-ium]
CID 168799249
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene
CID 157270092
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
1,15-dimethyl-14-methylidene-13-azoniatetracyclo[10.2.1.02,7.08,13]pentadeca-2,4,6,8(13),9,11-hexaene
CID 148702041
2-methylidenechromen-4-ol
CID 143309921

Frequently Asked Questions

What is the IUPAC name of 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]?
The IUPAC name of 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium] (CID 160614588) is 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium].
What is the SMILES notation for 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]?
The canonical SMILES for 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium] is C=C1Oc2ccccc2C2=C1c1cccc[n+]1C21c2ccccc2-c2cccc[n+]21.
What is the InChIKey of 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]?
The InChIKey is MUGMBUJAWJZVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c1-18-25-23-14-7-9-17-29(23)27(26(25)20-11-3-5-15-24(20)30-18)21-12-4-2-10-19(21)22-13-6-8-16-28(22)27/h2-17H,1H2/q+2.
What are the key properties of 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]?
6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium] has a molecular weight of 386.45 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium] is sourced from PubChem (CID 160614588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).