(1-aminocyclopropyl)-(2-chlorophenyl)methanone

C10H10ClNO — CID 116576455

IUPAC(1-aminocyclopropyl)-(2-chlorophenyl)methanone
SMILESNC1(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C10H10ClNO/c11-8-4-2-1-3-7(8)9(13)10(12)5-6-10/h1-4H,5-6,12H2
InChIKeyXSKWCKUFFKZJID-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.01
Rot. Bonds2

About (1-aminocyclopropyl)-(2-chlorophenyl)methanone

(1-aminocyclopropyl)-(2-chlorophenyl)methanone (PubChem CID 116576455) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(2-chlorophenyl)methanone
PubChem CID116576455
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name(1-aminocyclopropyl)-(2-chlorophenyl)methanone
SMILESNC1(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C10H10ClNO/c11-8-4-2-1-3-7(8)9(13)10(12)5-6-10/h1-4H,5-6,12H2
InChIKeyXSKWCKUFFKZJID-UHFFFAOYSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopropyl)-(2-hydroxyphenyl)methanone
CID 105436807
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
(1-aminocyclopentyl)-(2-bromophenyl)methanone
CID 82305027
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
(1-aminocyclopropyl)-(2-chloro-6-methoxyphenyl)methanone
CID 130730363
(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
CID 116550512
(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79059436
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(2-chlorophenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(2-chlorophenyl)methanone (CID 116576455) is (1-aminocyclopropyl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(2-chlorophenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(2-chlorophenyl)methanone is NC1(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(2-chlorophenyl)methanone?
The InChIKey is XSKWCKUFFKZJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-8-4-2-1-3-7(8)9(13)10(12)5-6-10/h1-4H,5-6,12H2.
What are the key properties of (1-aminocyclopropyl)-(2-chlorophenyl)methanone?
(1-aminocyclopropyl)-(2-chlorophenyl)methanone has a molecular weight of 195.65 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 116576455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).