1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile

C15H17N — CID 116841957

IUPAC1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile
SMILESCC1(C#N)CC1c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H17N/c1-15(10-16)9-14(15)13-7-6-11-4-2-3-5-12(11)8-13/h6-8,14H,2-5,9H2,1H3
InChIKeyBNPHENDPVMHHKR-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.58
Rot. Bonds1

About 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile

1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile (PubChem CID 116841957) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile
PubChem CID116841957
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile
SMILESCC1(C#N)CC1c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H17N/c1-15(10-16)9-14(15)13-7-6-11-4-2-3-5-12(11)8-13/h6-8,14H,2-5,9H2,1H3
InChIKeyBNPHENDPVMHHKR-UHFFFAOYSA-N
XLogP3.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841983
1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile
CID 116841997
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile
CID 103993932
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine
CID 113244920
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetonitrile
CID 12562356
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile
CID 80601961
N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobutan-1-amine
CID 156864691
[(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197685
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
CID 65423485
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile (CID 116841957) is 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile is CC1(C#N)CC1c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is BNPHENDPVMHHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-15(10-16)9-14(15)13-7-6-11-4-2-3-5-12(11)8-13/h6-8,14H,2-5,9H2,1H3.
What are the key properties of 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile?
1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 211.31 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116841957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).