propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate

C9H15NO3 — CID 123801735

IUPACpropan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1(C=O)CC1
InChIInChI=1S/C9H15NO3/c1-7(2)13-8(12)10-5-9(6-11)3-4-9/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyGIXJQGGMJUCOOZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.10
Rot. Bonds4

About propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate

propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate (PubChem CID 123801735) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate
PubChem CID123801735
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namepropan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1(C=O)CC1
InChIInChI=1S/C9H15NO3/c1-7(2)13-8(12)10-5-9(6-11)3-4-9/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyGIXJQGGMJUCOOZ-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
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tert-butyl N-[(1-formyl-4-methylcyclohexyl)methyl]carbamate;sulfur dioxide
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propan-2-yl N-(3-methylbut-2-enyl)carbamate
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propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate (CID 123801735) is propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate is CC(C)OC(=O)NCC1(C=O)CC1.
What is the InChIKey of propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate?
The InChIKey is GIXJQGGMJUCOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(2)13-8(12)10-5-9(6-11)3-4-9/h6-7H,3-5H2,1-2H3,(H,10,12).
What are the key properties of propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate?
propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate is sourced from PubChem (CID 123801735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).