cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide

C15H14N2O3 — CID 97017888

IUPACcis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide
SMILESO=C(NCc1cccc2ccccc12)[C@H]1C[C@H]1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c18-15(13-8-14(13)17(19)20)16-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13-14H,8-9H2,(H,16,18)/t13-,14+/m0/s1
InChIKeySXRJJLDWFCFZCY-UONOGXRCSA-N
MW270.29 g/mol
LogP2.12
Rot. Bonds4

About cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide

cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide (PubChem CID 97017888) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide
PubChem CID97017888
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namecis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide
SMILESO=C(NCc1cccc2ccccc12)[C@H]1C[C@H]1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c18-15(13-8-14(13)17(19)20)16-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13-14H,8-9H2,(H,16,18)/t13-,14+/m0/s1
InChIKeySXRJJLDWFCFZCY-UONOGXRCSA-N
XLogP2.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide
CID 97017887
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 47037300
2-amino-N-(naphthalen-1-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119709547
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
1-(naphthalen-1-ylmethyl)-3-(4-nitrophenyl)urea
CID 112840095
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
trans-(1R,2R)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-nitrocyclopropane-1-carboxamide
CID 98681469
N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 60675809
trans-(3R,5R)-1,3,4,5-tetrahydroxy-N-(naphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 151101293
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide (CID 97017888) is cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide is O=C(NCc1cccc2ccccc12)[C@H]1C[C@H]1[N+](=O)[O-].
What is the InChIKey of cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide?
The InChIKey is SXRJJLDWFCFZCY-UONOGXRCSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(13-8-14(13)17(19)20)16-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13-14H,8-9H2,(H,16,18)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide?
cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(naphthalen-1-ylmethyl)-2-nitrocyclopropane-1-carboxamide is sourced from PubChem (CID 97017888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).