(1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride

C10H11ClO — CID 88927777

IUPAC(1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CC1[C@H]1C=CC=CC1
InChIInChI=1S/C10H11ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-4,7-9H,5-6H2/t7-,8?,9+/m0/s1
InChIKeyNSCBTKVRGTXJTN-UBGVJBJISA-N
MW182.65 g/mol
LogP2.52
Rot. Bonds2

About (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride

(1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride (PubChem CID 88927777) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name(1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride
PubChem CID88927777
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name(1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CC1[C@H]1C=CC=CC1
InChIInChI=1S/C10H11ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-4,7-9H,5-6H2/t7-,8?,9+/m0/s1
InChIKeyNSCBTKVRGTXJTN-UBGVJBJISA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride?
The IUPAC name of (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride (CID 88927777) is (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride.
What is the SMILES notation for (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride?
The canonical SMILES for (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride is O=C(Cl)[C@@H]1CC1[C@H]1C=CC=CC1.
What is the InChIKey of (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride?
The InChIKey is NSCBTKVRGTXJTN-UBGVJBJISA-N. The full InChI is InChI=1S/C10H11ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-4,7-9H,5-6H2/t7-,8?,9+/m0/s1.
What are the key properties of (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride?
(1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride has a molecular weight of 182.65 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 88927777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).