[(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol

C15H20N2O3 — CID 99853716

IUPAC[(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O3/c1-2-15(16-13-7-6-11(8-13)10-18)12-4-3-5-14(9-12)17(19)20/h3-7,9,11,13,15-16,18H,2,8,10H2,1H3/t11-,13+,15+/m0/s1
InChIKeyMABSZHJQXQFYBD-NJZAAPMLSA-N
MW276.34 g/mol
LogP2.57
Rot. Bonds6

About [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol (PubChem CID 99853716) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol
PubChem CID99853716
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O3/c1-2-15(16-13-7-6-11(8-13)10-18)12-4-3-5-14(9-12)17(19)20/h3-7,9,11,13,15-16,18H,2,8,10H2,1H3/t11-,13+,15+/m0/s1
InChIKeyMABSZHJQXQFYBD-NJZAAPMLSA-N
XLogP2.57
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(3-nitrophenyl)propyl]urea
CID 111795214
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
2,2-dimethyl-N-[1-(3-nitrophenyl)propyl]cyclohexan-1-amine
CID 79867091
1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
CID 61462195
3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785906
2-ethyl-2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 103935771
4-methyl-2-[1-(3-nitrophenyl)propylamino]pentan-1-ol
CID 61247431
N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43574201
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine
CID 103902179
4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 106127516
N-[1-(3-nitrophenyl)butyl]cyclopropanamine
CID 43200341
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol (CID 99853716) is [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol is CC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is MABSZHJQXQFYBD-NJZAAPMLSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-15(16-13-7-6-11(8-13)10-18)12-4-3-5-14(9-12)17(19)20/h3-7,9,11,13,15-16,18H,2,8,10H2,1H3/t11-,13+,15+/m0/s1.
What are the key properties of [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 276.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 99853716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).