2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate

C10H15N3O3 — CID 83211898

IUPAC2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
SMILESN#CC1(C(=O)NCCOC(N)=O)CCCC1
InChIInChI=1S/C10H15N3O3/c11-7-10(3-1-2-4-10)8(14)13-5-6-16-9(12)15/h1-6H2,(H2,12,15)(H,13,14)
InChIKeyRWBYBASWJIRYRV-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.28
Rot. Bonds4

About 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate

2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate (PubChem CID 83211898) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
PubChem CID83211898
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
SMILESN#CC1(C(=O)NCCOC(N)=O)CCCC1
InChIInChI=1S/C10H15N3O3/c11-7-10(3-1-2-4-10)8(14)13-5-6-16-9(12)15/h1-6H2,(H2,12,15)(H,13,14)
InChIKeyRWBYBASWJIRYRV-UHFFFAOYSA-N
XLogP0.28
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide
CID 113362898
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
CID 83203503
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide
CID 103855657
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115631260
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide
CID 80593471
1-cyano-N-(3-cyclopropylpropyl)cyclopentane-1-carboxamide
CID 115635940

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate (CID 83211898) is 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate is N#CC1(C(=O)NCCOC(N)=O)CCCC1.
What is the InChIKey of 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate?
The InChIKey is RWBYBASWJIRYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-7-10(3-1-2-4-10)8(14)13-5-6-16-9(12)15/h1-6H2,(H2,12,15)(H,13,14).
What are the key properties of 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate?
2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate has a molecular weight of 225.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83211898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).