1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide

C12H15N3O3 — CID 65465737

IUPAC1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(N)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O3/c1-8(14-11(16)12(13)5-6-12)9-3-2-4-10(7-9)15(17)18/h2-4,7-8H,5-6,13H2,1H3,(H,14,16)
InChIKeyLLIDKPGAMPFXSS-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.26
Rot. Bonds4

About 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 65465737) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID65465737
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(N)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O3/c1-8(14-11(16)12(13)5-6-12)9-3-2-4-10(7-9)15(17)18/h2-4,7-8H,5-6,13H2,1H3,(H,14,16)
InChIKeyLLIDKPGAMPFXSS-UHFFFAOYSA-N
XLogP1.26
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
CID 64684273
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CID 63139771
1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 55877109
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
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3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 54862606
3-amino-2-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 55104277
N-[1-(3-nitrophenyl)ethyl]-3-oxobutanamide
CID 54867131
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CID 61062698
(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
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3-amino-4-[1-(3-nitrophenyl)ethylamino]-4-oxobutanoic acid
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CID 115286471

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide (CID 65465737) is 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1(N)CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LLIDKPGAMPFXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(14-11(16)12(13)5-6-12)9-3-2-4-10(7-9)15(17)18/h2-4,7-8H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 65465737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).