trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate

C14H16N3O3- — CID 7350566

IUPACtrans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate
SMILESC[C@@H]1/C(=N/NC(N)=O)CC[C@@]1(C(=O)[O-])c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-9-11(16-17-13(15)20)7-8-14(9,12(18)19)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,18,19)(H3,15,17,20)/p-1/b16-11+/t9-,14+/m1/s1
InChIKeyOHKMLXFPLWZYAT-TXLRQETESA-M
MW274.30 g/mol
LogP0.13
Rot. Bonds3

About trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate

trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate (PubChem CID 7350566) has the molecular formula C14H16N3O3- and a molecular weight of 274.30 g/mol. Its IUPAC name is trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate
PubChem CID7350566
Molecular FormulaC14H16N3O3-
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Nametrans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate
SMILESC[C@@H]1/C(=N/NC(N)=O)CC[C@@]1(C(=O)[O-])c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-9-11(16-17-13(15)20)7-8-14(9,12(18)19)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,18,19)(H3,15,17,20)/p-1/b16-11+/t9-,14+/m1/s1
InChIKeyOHKMLXFPLWZYAT-TXLRQETESA-M
XLogP0.13
TPSA107.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate 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

[(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea
CID 121000811
[(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea
CID 11825208
cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide
CID 7458218
[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea
CID 7380767
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
[(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea
CID 92526860
[[(2S,3R,5S)-5-acetyl-3-benzyl-2-methylcyclohexylidene]amino]urea
CID 124767661
[(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea
CID 92856454
[(E)-(3-phenylcyclopent-2-en-1-ylidene)amino]urea
CID 121010699
[(E)-[(2S,4aS,8aS)-2-phenyl-2,3,4a,5,6,7,8,8a-octahydroselenochromen-4-ylidene]amino]urea
CID 10337928
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
2-fluoro-1-phenylcyclohexane-1-carboxamide
CID 68810873

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate?
The IUPAC name of trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate (CID 7350566) is trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate is C[C@@H]1/C(=N/NC(N)=O)CC[C@@]1(C(=O)[O-])c1ccccc1.
What is the InChIKey of trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate?
The InChIKey is OHKMLXFPLWZYAT-TXLRQETESA-M. The full InChI is InChI=1S/C14H17N3O3/c1-9-11(16-17-13(15)20)7-8-14(9,12(18)19)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,18,19)(H3,15,17,20)/p-1/b16-11+/t9-,14+/m1/s1.
What are the key properties of trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate?
trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 7350566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).