(Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene

C13H23NO — CID 142390736

IUPAC(Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene
SMILESC/C=C\C(C(=O)N(C)C)=C(C)C.C=CC
InChIInChI=1S/C10H17NO.C3H6/c1-6-7-9(8(2)3)10(12)11(4)5;1-3-2/h6-7H,1-5H3;3H,1H2,2H3/b7-6-;
InChIKeyVUMXKLUNPLBNJH-NAFXZHHSSA-N
MW209.33 g/mol
LogP3.18
Rot. Bonds2

About (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene

(Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene (PubChem CID 142390736) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene
PubChem CID142390736
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene
SMILESC/C=C\C(C(=O)N(C)C)=C(C)C.C=CC
InChIInChI=1S/C10H17NO.C3H6/c1-6-7-9(8(2)3)10(12)11(4)5;1-3-2/h6-7H,1-5H3;3H,1H2,2H3/b7-6-;
InChIKeyVUMXKLUNPLBNJH-NAFXZHHSSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene?
The IUPAC name of (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene (CID 142390736) is (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene.
What is the SMILES notation for (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene?
The canonical SMILES for (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene is C/C=C\C(C(=O)N(C)C)=C(C)C.C=CC.
What is the InChIKey of (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene?
The InChIKey is VUMXKLUNPLBNJH-NAFXZHHSSA-N. The full InChI is InChI=1S/C10H17NO.C3H6/c1-6-7-9(8(2)3)10(12)11(4)5;1-3-2/h6-7H,1-5H3;3H,1H2,2H3/b7-6-;.
What are the key properties of (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene?
(Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene has a molecular weight of 209.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-2-propan-2-ylidenepent-3-enamide;prop-1-ene is sourced from PubChem (CID 142390736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).