2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate

C10H14N2O3 — CID 45092132

IUPAC2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate
SMILESC#CCC(C)(OC(=O)NC(N)=O)C1CC1
InChIInChI=1S/C10H14N2O3/c1-3-6-10(2,7-4-5-7)15-9(14)12-8(11)13/h1,7H,4-6H2,2H3,(H3,11,12,13,14)
InChIKeyMRJXZGDNGANHFH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.98
Rot. Bonds3

About 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate

2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate (PubChem CID 45092132) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate.

Molecular Properties

Compound Name2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate
PubChem CID45092132
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate
SMILESC#CCC(C)(OC(=O)NC(N)=O)C1CC1
InChIInChI=1S/C10H14N2O3/c1-3-6-10(2,7-4-5-7)15-9(14)12-8(11)13/h1,7H,4-6H2,2H3,(H3,11,12,13,14)
InChIKeyMRJXZGDNGANHFH-UHFFFAOYSA-N
XLogP0.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate 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

2-cyclopropylpent-4-yn-2-ol
CID 10654223
2-amino-2-cyclopropylhex-5-yn-3-one
CID 116558356
tert-butyl 2-amino-2-cyclopropylpropanoate
CID 18379175
[(2R)-1,1,1-trichloro-2-methylpent-4-yn-2-yl] carbamate
CID 95562042
tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate
CID 84723535
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate
CID 166470828
ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 101049189
ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 10633164
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
CID 87242771
(Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid
CID 129050654

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate?
The IUPAC name of 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate (CID 45092132) is 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate.
What is the SMILES notation for 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate?
The canonical SMILES for 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate is C#CCC(C)(OC(=O)NC(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate?
The InChIKey is MRJXZGDNGANHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-6-10(2,7-4-5-7)15-9(14)12-8(11)13/h1,7H,4-6H2,2H3,(H3,11,12,13,14).
What are the key properties of 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate?
2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate has a molecular weight of 210.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpent-4-yn-2-yl N-carbamoylcarbamate is sourced from PubChem (CID 45092132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).