[1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate

C9H17NO3 — CID 66733334

IUPAC[1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-8(2,3)10-7(12)13-9(6-11)4-5-9/h11H,4-6H2,1-3H3,(H,10,12)
InChIKeyZYCSKRVSENNBHX-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.04
Rot. Bonds2

About [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate

[1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate (PubChem CID 66733334) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate
PubChem CID66733334
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-8(2,3)10-7(12)13-9(6-11)4-5-9/h11H,4-6H2,1-3H3,(H,10,12)
InChIKeyZYCSKRVSENNBHX-UHFFFAOYSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate?
The IUPAC name of [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate (CID 66733334) is [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate?
The canonical SMILES for [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1(CO)CC1.
What is the InChIKey of [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate?
The InChIKey is ZYCSKRVSENNBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2,3)10-7(12)13-9(6-11)4-5-9/h11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate?
[1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate has a molecular weight of 187.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate is sourced from PubChem (CID 66733334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).