N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide

C9H17NO2 — CID 156566585

IUPACN-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide
SMILESCC[C@@H](CO)N(C=O)CC1CC1
InChIInChI=1S/C9H17NO2/c1-2-9(6-11)10(7-12)5-8-3-4-8/h7-9,11H,2-6H2,1H3/t9-/m0/s1
InChIKeyPIYAQIUZZZHQJA-VIFPVBQESA-N
MW171.24 g/mol
LogP0.63
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide

N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide (PubChem CID 156566585) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide
PubChem CID156566585
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide
SMILESCC[C@@H](CO)N(C=O)CC1CC1
InChIInChI=1S/C9H17NO2/c1-2-9(6-11)10(7-12)5-8-3-4-8/h7-9,11H,2-6H2,1H3/t9-/m0/s1
InChIKeyPIYAQIUZZZHQJA-VIFPVBQESA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide (CID 156566585) is N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide is CC[C@@H](CO)N(C=O)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide?
The InChIKey is PIYAQIUZZZHQJA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-9(6-11)10(7-12)5-8-3-4-8/h7-9,11H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide?
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide has a molecular weight of 171.24 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide is sourced from PubChem (CID 156566585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).