N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide

C12H22N2O — CID 89256491

IUPACN-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide
SMILESC=C/C(=C\CCCN)NC(=O)CCCC
InChIInChI=1S/C12H22N2O/c1-3-5-9-12(15)14-11(4-2)8-6-7-10-13/h4,8H,2-3,5-7,9-10,13H2,1H3,(H,14,15)/b11-8+
InChIKeyMVIDOCSNGKBCNW-DHZHZOJOSA-N
MW210.32 g/mol
LogP2.10
Rot. Bonds8

About N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide

N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide (PubChem CID 89256491) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide
PubChem CID89256491
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide
SMILESC=C/C(=C\CCCN)NC(=O)CCCC
InChIInChI=1S/C12H22N2O/c1-3-5-9-12(15)14-11(4-2)8-6-7-10-13/h4,8H,2-3,5-7,9-10,13H2,1H3,(H,14,15)/b11-8+
InChIKeyMVIDOCSNGKBCNW-DHZHZOJOSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide?
The IUPAC name of N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide (CID 89256491) is N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide.
What is the SMILES notation for N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide?
The canonical SMILES for N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide is C=C/C(=C\CCCN)NC(=O)CCCC.
What is the InChIKey of N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide?
The InChIKey is MVIDOCSNGKBCNW-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-9-12(15)14-11(4-2)8-6-7-10-13/h4,8H,2-3,5-7,9-10,13H2,1H3,(H,14,15)/b11-8+.
What are the key properties of N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide?
N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide has a molecular weight of 210.32 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide is sourced from PubChem (CID 89256491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).