N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide

C13H21NO — CID 178168015

IUPACN-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide
SMILESC=CC(=O)N(C)[C@H](C)C/C(C)=C/C=C\C
InChIInChI=1S/C13H21NO/c1-6-8-9-11(3)10-12(4)14(5)13(15)7-2/h6-9,12H,2,10H2,1,3-5H3/b8-6-,11-9+/t12-/m1/s1
InChIKeyWQWSODJDAUNKDM-PHBZRINYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide

N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide (PubChem CID 178168015) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide
PubChem CID178168015
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide
SMILESC=CC(=O)N(C)[C@H](C)C/C(C)=C/C=C\C
InChIInChI=1S/C13H21NO/c1-6-8-9-11(3)10-12(4)14(5)13(15)7-2/h6-9,12H,2,10H2,1,3-5H3/b8-6-,11-9+/t12-/m1/s1
InChIKeyWQWSODJDAUNKDM-PHBZRINYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide?
The IUPAC name of N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide (CID 178168015) is N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide is C=CC(=O)N(C)[C@H](C)C/C(C)=C/C=C\C.
What is the InChIKey of N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide?
The InChIKey is WQWSODJDAUNKDM-PHBZRINYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-8-9-11(3)10-12(4)14(5)13(15)7-2/h6-9,12H,2,10H2,1,3-5H3/b8-6-,11-9+/t12-/m1/s1.
What are the key properties of N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide?
N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide has a molecular weight of 207.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide is sourced from PubChem (CID 178168015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).