N,N-bis(pent-4-en-2-yl)prop-2-enamide

C13H21NO — CID 88606180

IUPACN,N-bis(pent-4-en-2-yl)prop-2-enamide
SMILESC=CCC(C)N(C(=O)C=C)C(C)CC=C
InChIInChI=1S/C13H21NO/c1-6-9-11(4)14(13(15)8-3)12(5)10-7-2/h6-8,11-12H,1-3,9-10H2,4-5H3
InChIKeySNXADPHVTQQMJC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds7

About N,N-bis(pent-4-en-2-yl)prop-2-enamide

N,N-bis(pent-4-en-2-yl)prop-2-enamide (PubChem CID 88606180) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-bis(pent-4-en-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(pent-4-en-2-yl)prop-2-enamide
PubChem CID88606180
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-bis(pent-4-en-2-yl)prop-2-enamide
SMILESC=CCC(C)N(C(=O)C=C)C(C)CC=C
InChIInChI=1S/C13H21NO/c1-6-9-11(4)14(13(15)8-3)12(5)10-7-2/h6-8,11-12H,1-3,9-10H2,4-5H3
InChIKeySNXADPHVTQQMJC-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
N,N-bis(1-hydroxyethyl)prop-2-enamide
CID 22665003
2-methyl-N,N-di(propan-2-yl)pent-4-enamide
CID 13197575
methyl N-ethyl-N-pent-4-en-2-ylcarbamate
CID 11816123
N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide
CID 11390924
N-ethyl-N-hydroxyprop-2-enamide
CID 19022461
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
ethanol;4-methylpent-1-ene
CID 141289447
N-ethyl-N-sulfanylprop-2-enamide
CID 154365527
pent-4-en-2-ol;urea
CID 88650571
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722

Frequently Asked Questions

What is the IUPAC name of N,N-bis(pent-4-en-2-yl)prop-2-enamide?
The IUPAC name of N,N-bis(pent-4-en-2-yl)prop-2-enamide (CID 88606180) is N,N-bis(pent-4-en-2-yl)prop-2-enamide.
What is the SMILES notation for N,N-bis(pent-4-en-2-yl)prop-2-enamide?
The canonical SMILES for N,N-bis(pent-4-en-2-yl)prop-2-enamide is C=CCC(C)N(C(=O)C=C)C(C)CC=C.
What is the InChIKey of N,N-bis(pent-4-en-2-yl)prop-2-enamide?
The InChIKey is SNXADPHVTQQMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-9-11(4)14(13(15)8-3)12(5)10-7-2/h6-8,11-12H,1-3,9-10H2,4-5H3.
What are the key properties of N,N-bis(pent-4-en-2-yl)prop-2-enamide?
N,N-bis(pent-4-en-2-yl)prop-2-enamide has a molecular weight of 207.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(pent-4-en-2-yl)prop-2-enamide is sourced from PubChem (CID 88606180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).