prop-2-ynyl N,N-di(propan-2-yl)carbamate

C10H17NO2 — CID 10997697

IUPACprop-2-ynyl N,N-di(propan-2-yl)carbamate
SMILESC#CCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H17NO2/c1-6-7-13-10(12)11(8(2)3)9(4)5/h1,8-9H,7H2,2-5H3
InChIKeyVCDFEQSZUUIKJX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.88
Rot. Bonds3

About prop-2-ynyl N,N-di(propan-2-yl)carbamate

prop-2-ynyl N,N-di(propan-2-yl)carbamate (PubChem CID 10997697) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is prop-2-ynyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N,N-di(propan-2-yl)carbamate
PubChem CID10997697
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameprop-2-ynyl N,N-di(propan-2-yl)carbamate
SMILESC#CCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H17NO2/c1-6-7-13-10(12)11(8(2)3)9(4)5/h1,8-9H,7H2,2-5H3
InChIKeyVCDFEQSZUUIKJX-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of prop-2-ynyl N,N-di(propan-2-yl)carbamate (CID 10997697) is prop-2-ynyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for prop-2-ynyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for prop-2-ynyl N,N-di(propan-2-yl)carbamate is C#CCOC(=O)N(C(C)C)C(C)C.
What is the InChIKey of prop-2-ynyl N,N-di(propan-2-yl)carbamate?
The InChIKey is VCDFEQSZUUIKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-7-13-10(12)11(8(2)3)9(4)5/h1,8-9H,7H2,2-5H3.
What are the key properties of prop-2-ynyl N,N-di(propan-2-yl)carbamate?
prop-2-ynyl N,N-di(propan-2-yl)carbamate has a molecular weight of 183.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10997697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).