N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide

C7H13NO2 — CID 150961586

IUPACN-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CCCO
InChIInChI=1S/C7H13NO2/c1-7(2)8(6-10)4-3-5-9/h6,9H,1,3-5H2,2H3
InChIKeyLMFCYIKXHCXHKX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.36
Rot. Bonds5

About N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide

N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide (PubChem CID 150961586) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide
PubChem CID150961586
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CCCO
InChIInChI=1S/C7H13NO2/c1-7(2)8(6-10)4-3-5-9/h6,9H,1,3-5H2,2H3
InChIKeyLMFCYIKXHCXHKX-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide
CID 130179466
N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide
CID 151328399
N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide
CID 166960934

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide?
The IUPAC name of N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide (CID 150961586) is N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide is C=C(C)N(C=O)CCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide?
The InChIKey is LMFCYIKXHCXHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)8(6-10)4-3-5-9/h6,9H,1,3-5H2,2H3.
What are the key properties of N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide?
N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide has a molecular weight of 143.19 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide is sourced from PubChem (CID 150961586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).