(1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide

C16H27NO2 — CID 143314881

IUPAC(1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide
SMILESCC(=O)[C@@H](C)CCCCC/C=C\C1C[C@]1(C)C(N)=O
InChIInChI=1S/C16H27NO2/c1-12(13(2)18)9-7-5-4-6-8-10-14-11-16(14,3)15(17)19/h8,10,12,14H,4-7,9,11H2,1-3H3,(H2,17,19)/b10-8-/t12-,14?,16-/m0/s1
InChIKeyYSKCFTDMWRJCFC-XXIRPIODSA-N
MW265.40 g/mol
LogP3.23
Rot. Bonds9

About (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide

(1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide (PubChem CID 143314881) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide
PubChem CID143314881
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide
SMILESCC(=O)[C@@H](C)CCCCC/C=C\C1C[C@]1(C)C(N)=O
InChIInChI=1S/C16H27NO2/c1-12(13(2)18)9-7-5-4-6-8-10-14-11-16(14,3)15(17)19/h8,10,12,14H,4-7,9,11H2,1-3H3,(H2,17,19)/b10-8-/t12-,14?,16-/m0/s1
InChIKeyYSKCFTDMWRJCFC-XXIRPIODSA-N
XLogP3.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
CID 70519875
(E)-2-methyloctadec-9-enamide
CID 19371032
2-methylnon-7-enamide
CID 142782091
3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
2-methylicosa-11,14-dienamide
CID 175746328
(3S)-7-amino-3-methylheptan-2-one;ethane
CID 145493099
(3R)-3-methyloctan-2-one
CID 158725350
(3S)-7-chloro-3-methylheptan-2-one
CID 141061105
10-methylundec-3-en-2-one
CID 154192046
cis-(1S,2S)-2-[(Z,8S)-9-[(2S,4R)-2-carbamoyl-4-(5-chloro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidin-1-yl]-8-[(2-methylpropan-2-yl)oxycarbonylamino]-9-oxonon-1-enyl]-1-methylcyclopropane-1-carboxylic acid
CID 163881354

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide (CID 143314881) is (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide is CC(=O)[C@@H](C)CCCCC/C=C\C1C[C@]1(C)C(N)=O.
What is the InChIKey of (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide?
The InChIKey is YSKCFTDMWRJCFC-XXIRPIODSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(13(2)18)9-7-5-4-6-8-10-14-11-16(14,3)15(17)19/h8,10,12,14H,4-7,9,11H2,1-3H3,(H2,17,19)/b10-8-/t12-,14?,16-/m0/s1.
What are the key properties of (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide?
(1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 143314881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).