N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride

C7H12ClNO2 — CID 79887071

IUPACN-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
SMILESCN(CC1CCCO1)C(=O)Cl
InChIInChI=1S/C7H12ClNO2/c1-9(7(8)10)5-6-3-2-4-11-6/h6H,2-5H2,1H3
InChIKeyCZBZNTBDSWIWHK-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.46
Rot. Bonds2

About N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride

N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride (PubChem CID 79887071) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
PubChem CID79887071
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
SMILESCN(CC1CCCO1)C(=O)Cl
InChIInChI=1S/C7H12ClNO2/c1-9(7(8)10)5-6-3-2-4-11-6/h6H,2-5H2,1H3
InChIKeyCZBZNTBDSWIWHK-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55236563
(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 119708785
2-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61435881
N-methyl-N-(oxolan-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61436099
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride (CID 79887071) is N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride is CN(CC1CCCO1)C(=O)Cl.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride?
The InChIKey is CZBZNTBDSWIWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-9(7(8)10)5-6-3-2-4-11-6/h6H,2-5H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride?
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride has a molecular weight of 177.63 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride is sourced from PubChem (CID 79887071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).