N-but-3-en-2-yl-N-ethylformamide

C7H13NO — CID 19012660

IUPACN-but-3-en-2-yl-N-ethylformamide
SMILESC=CC(C)N(C=O)CC
InChIInChI=1S/C7H13NO/c1-4-7(3)8(5-2)6-9/h4,6-7H,1,5H2,2-3H3
InChIKeyOQNKMAQFQRDKOB-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.04
Rot. Bonds4

About N-but-3-en-2-yl-N-ethylformamide

N-but-3-en-2-yl-N-ethylformamide (PubChem CID 19012660) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-but-3-en-2-yl-N-ethylformamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-N-ethylformamide
PubChem CID19012660
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-but-3-en-2-yl-N-ethylformamide
SMILESC=CC(C)N(C=O)CC
InChIInChI=1S/C7H13NO/c1-4-7(3)8(5-2)6-9/h4,6-7H,1,5H2,2-3H3
InChIKeyOQNKMAQFQRDKOB-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-dihydroxyethyl)-N-ethylformamide
CID 23116134
2-[but-3-en-2-yl(ethyl)amino]acetic acid
CID 62381772
3-[but-3-en-2-yl(ethyl)amino]butanoic acid
CID 62828162
N,N-dimethylbut-3-en-2-amine
CID 13459667
N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide
CID 144517305
(2S)-N,N-di(propan-2-yl)but-3-en-2-amine
CID 163439575
N'-but-3-en-2-yl-N'-methylmethanediamine
CID 174577366
2-[ethyl(formyl)amino]hexanoic acid
CID 63687944
N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine
CID 167204668
4-ethenyl-3,5-dimethylheptane
CID 90755259
1-N,1-N,1-N',1-N'-tetraethylprop-2-ene-1,1-diamine
CID 102472696
N,N-diethylpenta-3,4-dien-2-amine
CID 57131566

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-N-ethylformamide?
The IUPAC name of N-but-3-en-2-yl-N-ethylformamide (CID 19012660) is N-but-3-en-2-yl-N-ethylformamide.
What is the SMILES notation for N-but-3-en-2-yl-N-ethylformamide?
The canonical SMILES for N-but-3-en-2-yl-N-ethylformamide is C=CC(C)N(C=O)CC.
What is the InChIKey of N-but-3-en-2-yl-N-ethylformamide?
The InChIKey is OQNKMAQFQRDKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(3)8(5-2)6-9/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-N-ethylformamide?
N-but-3-en-2-yl-N-ethylformamide has a molecular weight of 127.19 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-N-ethylformamide is sourced from PubChem (CID 19012660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).