(1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine

C7H9N3O2 — CID 55291674

IUPAC(1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C7H9N3O2/c1-2-6(8)7-3-5(4-9-7)10(11)12/h2-4,6,9H,1,8H2/t6-/m1/s1
InChIKeyLCBNXRPBNLQCLN-ZCFIWIBFSA-N
MW167.17 g/mol
LogP1.11
Rot. Bonds3

About (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine

(1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine (PubChem CID 55291674) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine
PubChem CID55291674
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C7H9N3O2/c1-2-6(8)7-3-5(4-9-7)10(11)12/h2-4,6,9H,1,8H2/t6-/m1/s1
InChIKeyLCBNXRPBNLQCLN-ZCFIWIBFSA-N
XLogP1.11
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(4-nitro-1H-pyrrol-2-yl)propanoic acid
CID 55273107
2-[(1S)-1-aminoprop-2-enyl]-4-nitrophenol
CID 130614433
(1S)-1-(2-chloro-5-nitrophenyl)prop-2-en-1-amine
CID 131084690
1-(2-chloro-4-nitrophenyl)prop-2-en-1-amine
CID 130043369
2-chloro-4-nitro-1H-pyrrole
CID 21459528
3-[(1S)-1-aminopropyl]-5-nitro-1H-pyridin-2-one
CID 130644884
3-(dihydroxymethyl)-5-nitro-1H-pyridin-2-one
CID 118586009
(1S)-1-(2-nitrophenyl)prop-2-en-1-amine
CID 131167778
N-(2-aminobutyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 63731145
3-iodo-5-nitro-1H-pyridin-2-one
CID 11780423
2-[(1S)-1-aminoprop-2-enyl]-4-(hydroxymethyl)-6-nitrophenol
CID 165351606
4-[(1R)-1-aminoprop-2-enyl]-2-methoxy-6-nitrophenol
CID 171208075

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine (CID 55291674) is (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine is C=C[C@@H](N)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine?
The InChIKey is LCBNXRPBNLQCLN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-6(8)7-3-5(4-9-7)10(11)12/h2-4,6,9H,1,8H2/t6-/m1/s1.
What are the key properties of (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine?
(1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine has a molecular weight of 167.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-nitro-1H-pyrrol-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 55291674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).