1-(cyclopropylmethylamino)-4-methylidenehexan-2-one

C11H19NO — CID 116557799

IUPAC1-(cyclopropylmethylamino)-4-methylidenehexan-2-one
SMILESC=C(CC)CC(=O)CNCC1CC1
InChIInChI=1S/C11H19NO/c1-3-9(2)6-11(13)8-12-7-10-4-5-10/h10,12H,2-8H2,1H3
InChIKeyFGPNIXUXZQFABC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds7

About 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one

1-(cyclopropylmethylamino)-4-methylidenehexan-2-one (PubChem CID 116557799) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-4-methylidenehexan-2-one
PubChem CID116557799
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(cyclopropylmethylamino)-4-methylidenehexan-2-one
SMILESC=C(CC)CC(=O)CNCC1CC1
InChIInChI=1S/C11H19NO/c1-3-9(2)6-11(13)8-12-7-10-4-5-10/h10,12H,2-8H2,1H3
InChIKeyFGPNIXUXZQFABC-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
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

4-(Ethylamino)-6-methylhept-6-en-3-one
CID 89317461
6-Methyl-3-(methylamino)hept-6-en-2-one
CID 130441097
3-(Ethylamino)-6-methylhept-6-en-2-one
CID 130441100
6-Methyl-3-(propan-2-ylamino)hept-6-en-2-one
CID 130441142
1-(5-Methylideneoct-7-enylamino)hex-5-en-2-one
CID 142069621
5-Methylidene-7-(propylamino)heptan-3-one
CID 146644727
5-Methylidene-1-(propan-2-ylamino)hept-6-en-2-one
CID 155117128
(3S)-5-methyl-3-(methylamino)hex-5-en-2-one
CID 163768945
1-(4-Methylpent-4-enylamino)propan-2-one
CID 165143394
6-Methylidene-8-(propylamino)octan-4-one
CID 166967404
3-Methylidene-6-(propylamino)hexan-2-one
CID 169956308
5-Methyl-3-(methylamino)hex-5-en-2-one
CID 170215916

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one?
The IUPAC name of 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one (CID 116557799) is 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one.
What is the SMILES notation for 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one?
The canonical SMILES for 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one is C=C(CC)CC(=O)CNCC1CC1.
What is the InChIKey of 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one?
The InChIKey is FGPNIXUXZQFABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9(2)6-11(13)8-12-7-10-4-5-10/h10,12H,2-8H2,1H3.
What are the key properties of 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one?
1-(cyclopropylmethylamino)-4-methylidenehexan-2-one has a molecular weight of 181.28 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-4-methylidenehexan-2-one is sourced from PubChem (CID 116557799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).