(1-cyclopropyl-2-hydroxyethyl) carbamate

C6H11NO3 — CID 174756557

IUPAC(1-cyclopropyl-2-hydroxyethyl) carbamate
SMILESNC(=O)OC(CO)C1CC1
InChIInChI=1S/C6H11NO3/c7-6(9)10-5(3-8)4-1-2-4/h4-5,8H,1-3H2,(H2,7,9)
InChIKeyHHUBHGVYMTXARI-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.15
Rot. Bonds3

About (1-cyclopropyl-2-hydroxyethyl) carbamate

(1-cyclopropyl-2-hydroxyethyl) carbamate (PubChem CID 174756557) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (1-cyclopropyl-2-hydroxyethyl) carbamate.

Molecular Properties

Compound Name(1-cyclopropyl-2-hydroxyethyl) carbamate
PubChem CID174756557
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(1-cyclopropyl-2-hydroxyethyl) carbamate
SMILESNC(=O)OC(CO)C1CC1
InChIInChI=1S/C6H11NO3/c7-6(9)10-5(3-8)4-1-2-4/h4-5,8H,1-3H2,(H2,7,9)
InChIKeyHHUBHGVYMTXARI-UHFFFAOYSA-N
XLogP-0.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2-hydroxyethyl) carbamate?
The IUPAC name of (1-cyclopropyl-2-hydroxyethyl) carbamate (CID 174756557) is (1-cyclopropyl-2-hydroxyethyl) carbamate.
What is the SMILES notation for (1-cyclopropyl-2-hydroxyethyl) carbamate?
The canonical SMILES for (1-cyclopropyl-2-hydroxyethyl) carbamate is NC(=O)OC(CO)C1CC1.
What is the InChIKey of (1-cyclopropyl-2-hydroxyethyl) carbamate?
The InChIKey is HHUBHGVYMTXARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c7-6(9)10-5(3-8)4-1-2-4/h4-5,8H,1-3H2,(H2,7,9).
What are the key properties of (1-cyclopropyl-2-hydroxyethyl) carbamate?
(1-cyclopropyl-2-hydroxyethyl) carbamate has a molecular weight of 145.16 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2-hydroxyethyl) carbamate is sourced from PubChem (CID 174756557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).