2-methylpropyl N-(2-methylpropylidene)carbamate

C9H17NO2 — CID 175288576

IUPAC2-methylpropyl N-(2-methylpropylidene)carbamate
SMILESCC(C)C=NC(=O)OCC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyCWMNVPXFPGFTCH-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.51
Rot. Bonds3

About 2-methylpropyl N-(2-methylpropylidene)carbamate

2-methylpropyl N-(2-methylpropylidene)carbamate (PubChem CID 175288576) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methylpropyl N-(2-methylpropylidene)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-methylpropylidene)carbamate
PubChem CID175288576
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methylpropyl N-(2-methylpropylidene)carbamate
SMILESCC(C)C=NC(=O)OCC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyCWMNVPXFPGFTCH-UHFFFAOYSA-N
XLogP2.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-methylpropylidene)carbamate?
The IUPAC name of 2-methylpropyl N-(2-methylpropylidene)carbamate (CID 175288576) is 2-methylpropyl N-(2-methylpropylidene)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-methylpropylidene)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-methylpropylidene)carbamate is CC(C)C=NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(2-methylpropylidene)carbamate?
The InChIKey is CWMNVPXFPGFTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 2-methylpropyl N-(2-methylpropylidene)carbamate?
2-methylpropyl N-(2-methylpropylidene)carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-methylpropylidene)carbamate is sourced from PubChem (CID 175288576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).