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

C12H15N3O3 — CID 65464041

IUPAC1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(N)CC1
InChIInChI=1S/C12H15N3O3/c1-14(11(16)12(13)5-6-12)8-9-3-2-4-10(7-9)15(17)18/h2-4,7H,5-6,8,13H2,1H3
InChIKeyNMQGIDDLPFLIKJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.04
Rot. Bonds4

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

1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 65464041) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID65464041
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(N)CC1
InChIInChI=1S/C12H15N3O3/c1-14(11(16)12(13)5-6-12)8-9-3-2-4-10(7-9)15(17)18/h2-4,7H,5-6,8,13H2,1H3
InChIKeyNMQGIDDLPFLIKJ-UHFFFAOYSA-N
XLogP1.04
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
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

1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
CID 115286632
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
2-(aminomethyl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 65227283
3-bromo-N-methyl-N-[(3-nitrophenyl)methyl]thiophene-2-carboxamide
CID 47234431
4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210965
1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65465737
2-amino-N,3-dimethyl-N-[(3-nitrophenyl)methyl]pentanamide
CID 60944611

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide (CID 65464041) is 1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide is CN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is NMQGIDDLPFLIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-14(11(16)12(13)5-6-12)8-9-3-2-4-10(7-9)15(17)18/h2-4,7H,5-6,8,13H2,1H3.
What are the key properties of 1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide?
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 65464041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).