N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide

C13H21NO — CID 89299525

IUPACN-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide
SMILESC/C=C\C=C(\CNC(=O)C(C)C)C1CC1
InChIInChI=1S/C13H21NO/c1-4-5-6-12(11-7-8-11)9-14-13(15)10(2)3/h4-6,10-11H,7-9H2,1-3H3,(H,14,15)/b5-4-,12-6-
InChIKeyJGTGEKHZQDIOGF-NWDTZVKOSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds5

About N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide

N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide (PubChem CID 89299525) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide
PubChem CID89299525
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide
SMILESC/C=C\C=C(\CNC(=O)C(C)C)C1CC1
InChIInChI=1S/C13H21NO/c1-4-5-6-12(11-7-8-11)9-14-13(15)10(2)3/h4-6,10-11H,7-9H2,1-3H3,(H,14,15)/b5-4-,12-6-
InChIKeyJGTGEKHZQDIOGF-NWDTZVKOSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 11658617
CID 11658617
CID 5352999
CID 5352999
CID 14015854
CID 14015854
CID 24011649
CID 24011649
CID 38347217
CID 38347217
CID 77844818
CID 77844818
CID 5370490
CID 5370490
CID 530392
CID 530392
CID 13311389
CID 13311389
CID 54098260
CID 54098260
CID 163017819
CID 163017819
CID 523114
CID 523114

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide?
The IUPAC name of N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide (CID 89299525) is N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide?
The canonical SMILES for N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide is C/C=C\C=C(\CNC(=O)C(C)C)C1CC1.
What is the InChIKey of N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide?
The InChIKey is JGTGEKHZQDIOGF-NWDTZVKOSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-6-12(11-7-8-11)9-14-13(15)10(2)3/h4-6,10-11H,7-9H2,1-3H3,(H,14,15)/b5-4-,12-6-.
What are the key properties of N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide?
N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide has a molecular weight of 207.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2-cyclopropylhexa-2,4-dienyl]-2-methylpropanamide is sourced from PubChem (CID 89299525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).