1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile

C15H13N — CID 116837184

IUPAC1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C15H13N/c16-11-15(8-9-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7H,8-10H2
InChIKeyKWCBGSIMMQNJLL-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.69
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile

1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile (PubChem CID 116837184) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile
PubChem CID116837184
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C15H13N/c16-11-15(8-9-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7H,8-10H2
InChIKeyKWCBGSIMMQNJLL-UHFFFAOYSA-N
XLogP3.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
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CID 112564286
5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
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CID 66760372

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile (CID 116837184) is 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile is N#CC1(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile?
The InChIKey is KWCBGSIMMQNJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c16-11-15(8-9-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7H,8-10H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile?
1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116837184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).