cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile

C15H13NO — CID 70029140

IUPACcis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile
SMILESCOc1ccc2cccc([C@@H]3C[C@H]3C#N)c2c1
InChIInChI=1S/C15H13NO/c1-17-12-6-5-10-3-2-4-13(15(10)8-12)14-7-11(14)9-16/h2-6,8,11,14H,7H2,1H3/t11-,14+/m0/s1
InChIKeyDYOQYUDGJNBAQF-SMDDNHRTSA-N
MW223.28 g/mol
LogP3.48
Rot. Bonds2

About cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile

cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile (PubChem CID 70029140) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile
PubChem CID70029140
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Namecis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile
SMILESCOc1ccc2cccc([C@@H]3C[C@H]3C#N)c2c1
InChIInChI=1S/C15H13NO/c1-17-12-6-5-10-3-2-4-13(15(10)8-12)14-7-11(14)9-16/h2-6,8,11,14H,7H2,1H3/t11-,14+/m0/s1
InChIKeyDYOQYUDGJNBAQF-SMDDNHRTSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile
CID 18513224
N-[2-(7-methoxynaphthalen-1-yl)cyclopropyl]cyclopropanecarboxamide
CID 10221363
1-(7-methoxynaphthalen-1-yl)adamantane
CID 173329758
2-(4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 172635786
1-tert-butyl-7-methoxynaphthalene
CID 608110
6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 82075312
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
CID 105483868
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile?
The IUPAC name of cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile (CID 70029140) is cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile is COc1ccc2cccc([C@@H]3C[C@H]3C#N)c2c1.
What is the InChIKey of cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile?
The InChIKey is DYOQYUDGJNBAQF-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H13NO/c1-17-12-6-5-10-3-2-4-13(15(10)8-12)14-7-11(14)9-16/h2-6,8,11,14H,7H2,1H3/t11-,14+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile?
cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 70029140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).