spiro[benzo[h]chromene-2,3'-pyrrolidine]

C16H15NO — CID 82046003

IUPACspiro[benzo[h]chromene-2,3'-pyrrolidine]
SMILESC1=CC2(CCNC2)Oc2c1ccc1ccccc21
InChIInChI=1S/C16H15NO/c1-2-4-14-12(3-1)5-6-13-7-8-16(18-15(13)14)9-10-17-11-16/h1-8,17H,9-11H2
InChIKeyHBSLBEQMASKTEX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.98
Rot. Bonds

About spiro[benzo[h]chromene-2,3'-pyrrolidine]

spiro[benzo[h]chromene-2,3'-pyrrolidine] (PubChem CID 82046003) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is spiro[benzo[h]chromene-2,3'-pyrrolidine].

Molecular Properties

Compound Namespiro[benzo[h]chromene-2,3'-pyrrolidine]
PubChem CID82046003
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Namespiro[benzo[h]chromene-2,3'-pyrrolidine]
SMILESC1=CC2(CCNC2)Oc2c1ccc1ccccc21
InChIInChI=1S/C16H15NO/c1-2-4-14-12(3-1)5-6-13-7-8-16(18-15(13)14)9-10-17-11-16/h1-8,17H,9-11H2
InChIKeyHBSLBEQMASKTEX-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047156
3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine
CID 82047190
2,2-dimethoxybenzo[h]chromene
CID 141176561
7-bromospiro[chromene-2,3'-pyrrolidine]
CID 82045958
CID 10792750
CID 10792750
6-methoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045975
2-(4-methoxyphenyl)-2-methylbenzo[h]chromene
CID 15650046
2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene
CID 169032361
N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
CID 70344376
2,2-dimethyl-4,5-dihydro-3H-benzo[i][1,5]benzoxazepine
CID 113422620
1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]
CID 82047282
7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]
CID 631792

Frequently Asked Questions

What is the IUPAC name of spiro[benzo[h]chromene-2,3'-pyrrolidine]?
The IUPAC name of spiro[benzo[h]chromene-2,3'-pyrrolidine] (CID 82046003) is spiro[benzo[h]chromene-2,3'-pyrrolidine].
What is the SMILES notation for spiro[benzo[h]chromene-2,3'-pyrrolidine]?
The canonical SMILES for spiro[benzo[h]chromene-2,3'-pyrrolidine] is C1=CC2(CCNC2)Oc2c1ccc1ccccc21.
What is the InChIKey of spiro[benzo[h]chromene-2,3'-pyrrolidine]?
The InChIKey is HBSLBEQMASKTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-4-14-12(3-1)5-6-13-7-8-16(18-15(13)14)9-10-17-11-16/h1-8,17H,9-11H2.
What are the key properties of spiro[benzo[h]chromene-2,3'-pyrrolidine]?
spiro[benzo[h]chromene-2,3'-pyrrolidine] has a molecular weight of 237.30 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[benzo[h]chromene-2,3'-pyrrolidine] is sourced from PubChem (CID 82046003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).