methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate

C9H13NO2 — CID 115549687

IUPACmethyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate
SMILESC#CCN(CC1CC1)C(=O)OC
InChIInChI=1S/C9H13NO2/c1-3-6-10(9(11)12-2)7-8-4-5-8/h1,8H,4-7H2,2H3
InChIKeyYQVDZYNZDCYDLH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.10
Rot. Bonds3

About methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate

methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate (PubChem CID 115549687) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate.

Molecular Properties

Compound Namemethyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate
PubChem CID115549687
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namemethyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate
SMILESC#CCN(CC1CC1)C(=O)OC
InChIInChI=1S/C9H13NO2/c1-3-6-10(9(11)12-2)7-8-4-5-8/h1,8H,4-7H2,2H3
InChIKeyYQVDZYNZDCYDLH-UHFFFAOYSA-N
XLogP1.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate 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

N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide
CID 115532424
1-(cyclopropylmethyl)-3,3-dimethyl-1-prop-2-ynylurea
CID 115549872
tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate
CID 132851274
methyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 115575376
N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 115532543
4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide
CID 103156476
(2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828602
N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide
CID 115761109
2-[[cyclopropylmethyl(ethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284715
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487
N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide
CID 115532759
(2R,5S)-5-[cyclopropylmethyl(prop-2-ynyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945558

Frequently Asked Questions

What is the IUPAC name of methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate?
The IUPAC name of methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate (CID 115549687) is methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate.
What is the SMILES notation for methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate?
The canonical SMILES for methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate is C#CCN(CC1CC1)C(=O)OC.
What is the InChIKey of methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate?
The InChIKey is YQVDZYNZDCYDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-6-10(9(11)12-2)7-8-4-5-8/h1,8H,4-7H2,2H3.
What are the key properties of methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate?
methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate has a molecular weight of 167.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate is sourced from PubChem (CID 115549687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).