[1-(chloroamino)cyclopropyl]methanol

C4H8ClNO — CID 146469638

IUPAC[1-(chloroamino)cyclopropyl]methanol
SMILESOCC1(NCl)CC1
InChIInChI=1S/C4H8ClNO/c5-6-4(3-7)1-2-4/h6-7H,1-3H2
InChIKeyBHDBRAJENUNYNM-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.25
Rot. Bonds2

About [1-(chloroamino)cyclopropyl]methanol

[1-(chloroamino)cyclopropyl]methanol (PubChem CID 146469638) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is [1-(chloroamino)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(chloroamino)cyclopropyl]methanol
PubChem CID146469638
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Name[1-(chloroamino)cyclopropyl]methanol
SMILESOCC1(NCl)CC1
InChIInChI=1S/C4H8ClNO/c5-6-4(3-7)1-2-4/h6-7H,1-3H2
InChIKeyBHDBRAJENUNYNM-UHFFFAOYSA-N
XLogP0.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Aminocyclopropyl)methanol
CID 14146220
(1-Aminocyclopropyl)methanol hydrochloride
CID 14146222
N-chloro-2-amino-2-methyl-1-propanol
CID 23127609
Tris(hydroxymethyl)aminomethane chloride
CID 129668144
[1-(Iodoamino)cyclopropyl]methanol
CID 87696241
2-[1-(Chloroamino)cyclopropyl]ethanol
CID 89716829
(R)-2-Amino-2-methylbutan-1-ol hydrochloride
CID 90072360
(1-Aminocyclopropyl)methyloxidanium
CID 142376738
2-Amino-2-methylbutan-1-ol hydrochloride
CID 154728852
[1-(Sulfanylamino)cyclopropyl]methanol
CID 164045820
CID 164104616
CID 164104616
Potassium [1-(hydroxymethyl)cyclopropyl]azanide
CID 177976760

Frequently Asked Questions

What is the IUPAC name of [1-(chloroamino)cyclopropyl]methanol?
The IUPAC name of [1-(chloroamino)cyclopropyl]methanol (CID 146469638) is [1-(chloroamino)cyclopropyl]methanol.
What is the SMILES notation for [1-(chloroamino)cyclopropyl]methanol?
The canonical SMILES for [1-(chloroamino)cyclopropyl]methanol is OCC1(NCl)CC1.
What is the InChIKey of [1-(chloroamino)cyclopropyl]methanol?
The InChIKey is BHDBRAJENUNYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO/c5-6-4(3-7)1-2-4/h6-7H,1-3H2.
What are the key properties of [1-(chloroamino)cyclopropyl]methanol?
[1-(chloroamino)cyclopropyl]methanol has a molecular weight of 121.57 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(chloroamino)cyclopropyl]methanol is sourced from PubChem (CID 146469638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).