2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile

C21H18N2 — CID 170886362

IUPAC2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile
SMILESN#CCc1ccc2c(c1)-c1ccc(CC#N)cc1C21CCCC1
InChIInChI=1S/C21H18N2/c22-11-7-15-4-6-19-18(13-15)17-5-3-16(8-12-23)14-20(17)21(19)9-1-2-10-21/h3-6,13-14H,1-2,7-10H2
InChIKeyJYHJVYDXGZQKFE-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.66
Rot. Bonds2

About 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile

2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile (PubChem CID 170886362) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile.

Molecular Properties

Compound Name2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile
PubChem CID170886362
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile
SMILESN#CCc1ccc2c(c1)-c1ccc(CC#N)cc1C21CCCC1
InChIInChI=1S/C21H18N2/c22-11-7-15-4-6-19-18(13-15)17-5-3-16(8-12-23)14-20(17)21(19)9-1-2-10-21/h3-6,13-14H,1-2,7-10H2
InChIKeyJYHJVYDXGZQKFE-UHFFFAOYSA-N
XLogP4.66
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetonitrile
CID 12562356
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
2-[7-(cyanomethyl)-9,9-dipentylfluoren-2-yl]acetonitrile
CID 122384059
4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 166718125
2'-fluorospiro[cyclohexane-1,9'-fluorene]
CID 18740734
2-(3-oxo-1,2-dihydroinden-5-yl)acetonitrile
CID 69202093
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
CID 58814373
3'-(4-methylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 58389877
4,6-diphenyl-2-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 146352227
4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine
CID 161402725
7'-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-1-yl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171440663

Frequently Asked Questions

What is the IUPAC name of 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile?
The IUPAC name of 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile (CID 170886362) is 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile.
What is the SMILES notation for 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile?
The canonical SMILES for 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile is N#CCc1ccc2c(c1)-c1ccc(CC#N)cc1C21CCCC1.
What is the InChIKey of 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile?
The InChIKey is JYHJVYDXGZQKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c22-11-7-15-4-6-19-18(13-15)17-5-3-16(8-12-23)14-20(17)21(19)9-1-2-10-21/h3-6,13-14H,1-2,7-10H2.
What are the key properties of 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile?
2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile has a molecular weight of 298.39 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7'-(cyanomethyl)spiro[cyclopentane-1,9'-fluorene]-3'-yl]acetonitrile is sourced from PubChem (CID 170886362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).