4-(1-chloroethylidene)hept-5-en-2-yl carbamate

C10H16ClNO2 — CID 123928018

IUPAC4-(1-chloroethylidene)hept-5-en-2-yl carbamate
SMILESCC=CC(CC(C)OC(N)=O)=C(C)Cl
InChIInChI=1S/C10H16ClNO2/c1-4-5-9(8(3)11)6-7(2)14-10(12)13/h4-5,7H,6H2,1-3H3,(H2,12,13)
InChIKeyCITCRJIPFYPCBE-UHFFFAOYSA-N
MW217.70 g/mol
LogP2.95
Rot. Bonds4

About 4-(1-chloroethylidene)hept-5-en-2-yl carbamate

4-(1-chloroethylidene)hept-5-en-2-yl carbamate (PubChem CID 123928018) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-(1-chloroethylidene)hept-5-en-2-yl carbamate.

Molecular Properties

Compound Name4-(1-chloroethylidene)hept-5-en-2-yl carbamate
PubChem CID123928018
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name4-(1-chloroethylidene)hept-5-en-2-yl carbamate
SMILESCC=CC(CC(C)OC(N)=O)=C(C)Cl
InChIInChI=1S/C10H16ClNO2/c1-4-5-9(8(3)11)6-7(2)14-10(12)13/h4-5,7H,6H2,1-3H3,(H2,12,13)
InChIKeyCITCRJIPFYPCBE-UHFFFAOYSA-N
XLogP2.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-carbamoyloxybutanoate
CID 88785770
ethyl (Z,4E)-4-(1-chloroethylidene)-2-[1-[(2E,4Z)-hexa-2,4-dien-2-yl]sulfanylethyl]hept-5-enoate
CID 166109094
4-oxobutan-2-yl carbamate
CID 87311597
4,4-dichlorobutan-2-yl carbamate
CID 88641274
(3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane
CID 142578405
1-trimethoxysilylpropan-2-yl carbamate
CID 175411103
[6-chloro-5-(1-chloroethylidene)-4-methoxyoct-6-en-3-yl] carbamate
CID 123846000
methyl N-(2-carbamoyloxypropyl)carbamate
CID 140629803
2-chloro-3-propan-2-yloxyhexa-2,4-diene
CID 123282119
(4-imidazol-1-yl-4-oxobutan-2-yl) carbamate
CID 175422080
[(2S)-2-carbamoyloxypropyl]-trimethylazanium chloride
CID 45266828
[5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate
CID 123375723

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethylidene)hept-5-en-2-yl carbamate?
The IUPAC name of 4-(1-chloroethylidene)hept-5-en-2-yl carbamate (CID 123928018) is 4-(1-chloroethylidene)hept-5-en-2-yl carbamate.
What is the SMILES notation for 4-(1-chloroethylidene)hept-5-en-2-yl carbamate?
The canonical SMILES for 4-(1-chloroethylidene)hept-5-en-2-yl carbamate is CC=CC(CC(C)OC(N)=O)=C(C)Cl.
What is the InChIKey of 4-(1-chloroethylidene)hept-5-en-2-yl carbamate?
The InChIKey is CITCRJIPFYPCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-4-5-9(8(3)11)6-7(2)14-10(12)13/h4-5,7H,6H2,1-3H3,(H2,12,13).
What are the key properties of 4-(1-chloroethylidene)hept-5-en-2-yl carbamate?
4-(1-chloroethylidene)hept-5-en-2-yl carbamate has a molecular weight of 217.70 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethylidene)hept-5-en-2-yl carbamate is sourced from PubChem (CID 123928018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).