N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide

C12H18N2O — CID 173239757

IUPACN-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide
SMILESC=CCC(N)=CC(CC=C)NC(=O)C=C
InChIInChI=1S/C12H18N2O/c1-4-7-10(13)9-11(8-5-2)14-12(15)6-3/h4-6,9,11H,1-3,7-8,13H2,(H,14,15)
InChIKeyJGPDCQBKABTYCU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.65
Rot. Bonds7

About N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide

N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide (PubChem CID 173239757) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide
PubChem CID173239757
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide
SMILESC=CCC(N)=CC(CC=C)NC(=O)C=C
InChIInChI=1S/C12H18N2O/c1-4-7-10(13)9-11(8-5-2)14-12(15)6-3/h4-6,9,11H,1-3,7-8,13H2,(H,14,15)
InChIKeyJGPDCQBKABTYCU-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hexa-1,5-dien-3-ylbut-3-enamide
CID 173296191
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
CID 175039134
N-[(E,2S)-4-methyl-1-oxohex-4-en-2-yl]prop-2-enamide
CID 156751161
(3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide
CID 89429032
N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide
CID 121012434
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754
1-(prop-2-enoylamino)ethanesulfonic acid
CID 18361641
4-prop-2-enylhepta-1,3,6-trien-3-amine
CID 174731019

Frequently Asked Questions

What is the IUPAC name of N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide?
The IUPAC name of N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide (CID 173239757) is N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide.
What is the SMILES notation for N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide?
The canonical SMILES for N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide is C=CCC(N)=CC(CC=C)NC(=O)C=C.
What is the InChIKey of N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide?
The InChIKey is JGPDCQBKABTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-7-10(13)9-11(8-5-2)14-12(15)6-3/h4-6,9,11H,1-3,7-8,13H2,(H,14,15).
What are the key properties of N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide?
N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide has a molecular weight of 206.29 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide is sourced from PubChem (CID 173239757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).