5-(aminomethyl)non-8-en-4-one

C10H19NO — CID 134382036

IUPAC5-(aminomethyl)non-8-en-4-one
SMILESC=CCCC(CN)C(=O)CCC
InChIInChI=1S/C10H19NO/c1-3-5-7-9(8-11)10(12)6-4-2/h3,9H,1,4-8,11H2,2H3
InChIKeyOHIVJUNZPNMPHN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds7

About 5-(aminomethyl)non-8-en-4-one

5-(aminomethyl)non-8-en-4-one (PubChem CID 134382036) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(aminomethyl)non-8-en-4-one.

Molecular Properties

Compound Name5-(aminomethyl)non-8-en-4-one
PubChem CID134382036
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(aminomethyl)non-8-en-4-one
SMILESC=CCCC(CN)C(=O)CCC
InChIInChI=1S/C10H19NO/c1-3-5-7-9(8-11)10(12)6-4-2/h3,9H,1,4-8,11H2,2H3
InChIKeyOHIVJUNZPNMPHN-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-but-3-enylheptanoate
CID 141221895
ethyl 2-(4-iodobutyl)hex-5-enoate
CID 164665131
1-amino-2-methylhexan-3-one
CID 116564408
2-but-3-enyldecanoic acid;sulfane
CID 174631215
ethyl 2-aminohex-5-enoate;hydrochloride
CID 162341778
5-(aminomethyl)-2-methyloct-1-en-4-one
CID 116574621
4-propylnon-1-en-5-one
CID 11105997
ethyl (3R)-2,3-dihydroxyhept-6-enoate
CID 87766158
methyl 2-but-3-enyl-3-oxohept-6-enoate
CID 11424355
(4S)-4-amino-3-hydroxyoct-7-en-2-one
CID 148867411
ethyl (E)-2-prop-2-enylhept-5-enoate
CID 134916803
9-amino-6-methylnon-1-en-5-one
CID 116613429

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)non-8-en-4-one?
The IUPAC name of 5-(aminomethyl)non-8-en-4-one (CID 134382036) is 5-(aminomethyl)non-8-en-4-one.
What is the SMILES notation for 5-(aminomethyl)non-8-en-4-one?
The canonical SMILES for 5-(aminomethyl)non-8-en-4-one is C=CCCC(CN)C(=O)CCC.
What is the InChIKey of 5-(aminomethyl)non-8-en-4-one?
The InChIKey is OHIVJUNZPNMPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-7-9(8-11)10(12)6-4-2/h3,9H,1,4-8,11H2,2H3.
What are the key properties of 5-(aminomethyl)non-8-en-4-one?
5-(aminomethyl)non-8-en-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)non-8-en-4-one is sourced from PubChem (CID 134382036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).