N-cyclopropyl-N-ethylcarbamoyl chloride

C6H10ClNO — CID 19070648

IUPACN-cyclopropyl-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C1CC1
InChIInChI=1S/C6H10ClNO/c1-2-8(6(7)9)5-3-4-5/h5H,2-4H2,1H3
InChIKeyPDGIMVLTTGTYMZ-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.83
Rot. Bonds2

About N-cyclopropyl-N-ethylcarbamoyl chloride

N-cyclopropyl-N-ethylcarbamoyl chloride (PubChem CID 19070648) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is N-cyclopropyl-N-ethylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclopropyl-N-ethylcarbamoyl chloride
PubChem CID19070648
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC NameN-cyclopropyl-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C1CC1
InChIInChI=1S/C6H10ClNO/c1-2-8(6(7)9)5-3-4-5/h5H,2-4H2,1H3
InChIKeyPDGIMVLTTGTYMZ-UHFFFAOYSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diisopropylcarbamoyl chloride
CID 87890
Dipropylcarbamoyl chloride
CID 3015348
Di-sec-butylcarbamoyl chloride
CID 3015862
N-ethyl-N-(propan-2-yl)carbamoyl chloride
CID 21185221
N-cyclopropyl-N-methylcarbamoyl chloride
CID 19070630
N-ethyl-N-propylcarbamoyl chloride
CID 19707987
N-methyl-N-(propan-2-yl)carbamoyl chloride
CID 21956030
N-cyclopropyl-N-propan-2-ylformamide
CID 10630497
N-cyclopropyl-N-(2,2-difluoroethyl)carbamoyl chloride
CID 165608512
N-(2-fluoroethyl)-N-(propan-2-yl)carbamoyl chloride
CID 165824598
N-butan-2-yl-N-methylcarbamoyl chloride
CID 19070645
N-(butan-2-yl)-N-ethylcarbamoyl chloride
CID 19070647

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethylcarbamoyl chloride?
The IUPAC name of N-cyclopropyl-N-ethylcarbamoyl chloride (CID 19070648) is N-cyclopropyl-N-ethylcarbamoyl chloride.
What is the SMILES notation for N-cyclopropyl-N-ethylcarbamoyl chloride?
The canonical SMILES for N-cyclopropyl-N-ethylcarbamoyl chloride is CCN(C(=O)Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethylcarbamoyl chloride?
The InChIKey is PDGIMVLTTGTYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-2-8(6(7)9)5-3-4-5/h5H,2-4H2,1H3.
What are the key properties of N-cyclopropyl-N-ethylcarbamoyl chloride?
N-cyclopropyl-N-ethylcarbamoyl chloride has a molecular weight of 147.60 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethylcarbamoyl chloride is sourced from PubChem (CID 19070648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).