(Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile

C14H15N — CID 82076208

IUPAC(Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile
SMILESCC/C=C(\C#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H15N/c1-2-4-14(10-15)13-8-7-11-5-3-6-12(11)9-13/h4,7-9H,2-3,5-6H2,1H3/b14-4+
InChIKeyKVXBLHSQSHKZRC-LNKIKWGQSA-N
MW197.28 g/mol
LogP3.49
Rot. Bonds2

About (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile

(Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile (PubChem CID 82076208) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile
PubChem CID82076208
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name(Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile
SMILESCC/C=C(\C#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H15N/c1-2-4-14(10-15)13-8-7-11-5-3-6-12(11)9-13/h4,7-9H,2-3,5-6H2,1H3/b14-4+
InChIKeyKVXBLHSQSHKZRC-LNKIKWGQSA-N
XLogP3.49
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro(2,3-dihydro-1H-inden-5-yl)methylidene]pentanenitrile
CID 79405006
2-(2,3-dihydro-1H-indene-5-carbonyl)butanenitrile
CID 43670549
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanenitrile
CID 116923667
6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene
CID 158225433
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 62679922
(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid
CID 82049014
2-[cyanomethyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]acetonitrile
CID 60680530
2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide
CID 82118310
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 8884722
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
(E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine
CID 82288633

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile?
The IUPAC name of (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile (CID 82076208) is (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile.
What is the SMILES notation for (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile?
The canonical SMILES for (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile is CC/C=C(\C#N)c1ccc2c(c1)CCC2.
What is the InChIKey of (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile?
The InChIKey is KVXBLHSQSHKZRC-LNKIKWGQSA-N. The full InChI is InChI=1S/C14H15N/c1-2-4-14(10-15)13-8-7-11-5-3-6-12(11)9-13/h4,7-9H,2-3,5-6H2,1H3/b14-4+.
What are the key properties of (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile?
(Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile has a molecular weight of 197.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,3-dihydro-1H-inden-5-yl)pent-2-enenitrile is sourced from PubChem (CID 82076208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).