7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine

C24H30N4 — CID 163611883

IUPAC7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine
SMILESC=CC1CN=CC1/C=C/C1NC2=C(C3=C1CCCC3)C1N=C(C)N(C)C1C=C2
InChIInChI=1S/C24H30N4/c1-4-16-13-25-14-17(16)9-10-20-18-7-5-6-8-19(18)23-21(27-20)11-12-22-24(23)26-15(2)28(22)3/h4,9-12,14,16-17,20,22,24,27H,1,5-8,13H2,2-3H3/b10-9+
InChIKeyFISQTLZGURVFCD-MDZDMXLPSA-N
MW374.53 g/mol
LogP3.81
Rot. Bonds3

About 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine

7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine (PubChem CID 163611883) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine.

Molecular Properties

Compound Name7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine
PubChem CID163611883
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine
SMILESC=CC1CN=CC1/C=C/C1NC2=C(C3=C1CCCC3)C1N=C(C)N(C)C1C=C2
InChIInChI=1S/C24H30N4/c1-4-16-13-25-14-17(16)9-10-20-18-7-5-6-8-19(18)23-21(27-20)11-12-22-24(23)26-15(2)28(22)3/h4,9-12,14,16-17,20,22,24,27H,1,5-8,13H2,2-3H3/b10-9+
InChIKeyFISQTLZGURVFCD-MDZDMXLPSA-N
XLogP3.81
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine with MolForge

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Related Compounds

12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine
CID 91002845
7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine
CID 154539773
7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine
CID 166867848
(5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine
CID 177039812

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine?
The IUPAC name of 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine (CID 163611883) is 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine.
What is the SMILES notation for 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine?
The canonical SMILES for 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine is C=CC1CN=CC1/C=C/C1NC2=C(C3=C1CCCC3)C1N=C(C)N(C)C1C=C2.
What is the InChIKey of 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine?
The InChIKey is FISQTLZGURVFCD-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H30N4/c1-4-16-13-25-14-17(16)9-10-20-18-7-5-6-8-19(18)23-21(27-20)11-12-22-24(23)26-15(2)28(22)3/h4,9-12,14,16-17,20,22,24,27H,1,5-8,13H2,2-3H3/b10-9+.
What are the key properties of 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine?
7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine has a molecular weight of 374.53 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine is sourced from PubChem (CID 163611883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).