N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide

C11H19NS — CID 142153733

IUPACN-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide
SMILESCC/C=C\C(=C/CC)C(C)NC=S
InChIInChI=1S/C11H19NS/c1-4-6-8-11(7-5-2)10(3)12-9-13/h6-10H,4-5H2,1-3H3,(H,12,13)/b8-6-,11-7+
InChIKeyIOVPJKWTXNOBNN-FAWHLJIPSA-N
MW197.35 g/mol
LogP3.22
Rot. Bonds6

About N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide

N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide (PubChem CID 142153733) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide.

Molecular Properties

Compound NameN-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide
PubChem CID142153733
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide
SMILESCC/C=C\C(=C/CC)C(C)NC=S
InChIInChI=1S/C11H19NS/c1-4-6-8-11(7-5-2)10(3)12-9-13/h6-10H,4-5H2,1-3H3,(H,12,13)/b8-6-,11-7+
InChIKeyIOVPJKWTXNOBNN-FAWHLJIPSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide
CID 142153689
(3E,4Z)-3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine
CID 88243694
(Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine
CID 89022605
3-ethylidene-N-propan-2-ylhex-4-en-2-amine
CID 90718171
N-(3-methylhepta-3,5-dien-2-yl)methanethioamide
CID 90953180
(3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine
CID 118181314
(3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine
CID 118186756
4-ethenyl-N-methylocta-4,6,7-trien-3-amine
CID 123221965
N-methyl-3-methylidenehex-4-en-2-amine
CID 123252967
N,3-dimethyl-6-propylidenecyclohexa-2,4-dien-1-amine
CID 123331695
N,4-dimethylhepta-4,6-dien-3-amine
CID 123651951
3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine
CID 123757982

Frequently Asked Questions

What is the IUPAC name of N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide?
The IUPAC name of N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide (CID 142153733) is N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide.
What is the SMILES notation for N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide?
The canonical SMILES for N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide is CC/C=C\C(=C/CC)C(C)NC=S.
What is the InChIKey of N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide?
The InChIKey is IOVPJKWTXNOBNN-FAWHLJIPSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-6-8-11(7-5-2)10(3)12-9-13/h6-10H,4-5H2,1-3H3,(H,12,13)/b8-6-,11-7+.
What are the key properties of N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide?
N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide has a molecular weight of 197.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide is sourced from PubChem (CID 142153733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).