1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile

C14H18N2 — CID 143558951

IUPAC1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(C2=C/C=C\C(N)C/C=C\2)CCCC1
InChIInChI=1S/C14H18N2/c15-11-14(9-1-2-10-14)12-5-3-7-13(16)8-4-6-12/h3-7,13H,1-2,8-10,16H2/b6-4-,7-3-,12-5+
InChIKeyPEQKRGJFMBSZOA-CFVKNNGKSA-N
MW214.31 g/mol
LogP2.84
Rot. Bonds1

About 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile

1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile (PubChem CID 143558951) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile
PubChem CID143558951
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(C2=C/C=C\C(N)C/C=C\2)CCCC1
InChIInChI=1S/C14H18N2/c15-11-14(9-1-2-10-14)12-5-3-7-13(16)8-4-6-12/h3-7,13H,1-2,8-10,16H2/b6-4-,7-3-,12-5+
InChIKeyPEQKRGJFMBSZOA-CFVKNNGKSA-N
XLogP2.84
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile with MolForge

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Related Compounds

1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile
CID 149201129
1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile
CID 117047053
(3Z,6E)-bicyclo[6.2.0]deca-1,3,6-triene-9,9,10,10-tetracarbonitrile
CID 54604364
4-aminocyclohexa-1,5-diene-1-carbonitrile
CID 91284894
1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile
CID 28937665
1-pyridin-4-ylcyclohexane-1-carbonitrile
CID 22314789
1-pyrimidin-4-ylcyclohexane-1-carbonitrile
CID 130544093
1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile
CID 130544132
1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile
CID 138544174
cyclohexa-3,5-diene-1,3-diamine
CID 23462778
2-(1-cyanocyclopentyl)benzonitrile
CID 117047164
1-[4-(trifluoromethylamino)phenyl]cyclopentane-1-carbonitrile
CID 176550166

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile (CID 143558951) is 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile is N#CC1(C2=C/C=C\C(N)C/C=C\2)CCCC1.
What is the InChIKey of 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is PEQKRGJFMBSZOA-CFVKNNGKSA-N. The full InChI is InChI=1S/C14H18N2/c15-11-14(9-1-2-10-14)12-5-3-7-13(16)8-4-6-12/h3-7,13H,1-2,8-10,16H2/b6-4-,7-3-,12-5+.
What are the key properties of 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile?
1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3Z,7Z)-5-aminocycloocta-1,3,7-trien-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 143558951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).