cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide

C10H11N3O3 — CID 139349738

IUPACcis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O3/c11-12-10(14)9-5-8(9)6-2-1-3-7(4-6)13(15)16/h1-4,8-9H,5,11H2,(H,12,14)/t8-,9-/m1/s1
InChIKeyCPYDKEPTIHCBIW-RKDXNWHRSA-N
MW221.22 g/mol
LogP0.69
Rot. Bonds3

About cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide

cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide (PubChem CID 139349738) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide
PubChem CID139349738
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namecis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O3/c11-12-10(14)9-5-8(9)6-2-1-3-7(4-6)13(15)16/h1-4,8-9H,5,11H2,(H,12,14)/t8-,9-/m1/s1
InChIKeyCPYDKEPTIHCBIW-RKDXNWHRSA-N
XLogP0.69
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea
CID 27518401
N-[(3-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2828223
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(3-nitrophenyl)cyclopropane-1-carboxamide
CID 96564704
(3R,4S)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972023
N,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81416951
trans-(1S,2S)-N-(2-chloro-5-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903167
1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene
CID 75985035
trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7409539
trans-(1S,2S)-2-(3-fluorophenyl)-N-[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide
CID 167869470
tert-butyl N-[(1R,2S)-2-(3-nitrophenyl)cyclopropyl]carbamate
CID 20666535
2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride
CID 82368538
4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 6938443

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide (CID 139349738) is cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide is NNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide?
The InChIKey is CPYDKEPTIHCBIW-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-12-10(14)9-5-8(9)6-2-1-3-7(4-6)13(15)16/h1-4,8-9H,5,11H2,(H,12,14)/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide?
cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide has a molecular weight of 221.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 139349738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).